N-[3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]ethanamide

Systemtic Name: N-[3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: N-[3-[oxo-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c1-17(28)24-20-9-5-8-19(14-20)23(29)27-12-10-26(11-13-27)15-21-16-30-22(25-21)18-6-3-2-4-7-18/h2-9,14,16H,10-13,15H2,1H3,(H,24,28)/p+1